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176692-69-6 | 2-Pyrrolidinecarboxamide, N-(4-amino-4-oxobutyl)-, (S)- (9CI)
CAS No: 176692-69-6 Catalog No: AG0024TD MDL No:
Product Description
Catalog Number:
AG0024TD
Chemical Name:
2-Pyrrolidinecarboxamide, N-(4-amino-4-oxobutyl)-, (S)- (9CI)
CAS Number:
176692-69-6
Molecular Formula:
C9H17N3O2
Molecular Weight:
199.2502
IUPAC Name:
(2S)-N-(4-amino-4-oxobutyl)pyrrolidine-2-carboxamide
InChI:
InChI=1S/C9H17N3O2/c10-8(13)4-2-6-12-9(14)7-3-1-5-11-7/h7,11H,1-6H2,(H2,10,13)(H,12,14)/t7-/m0/s1
InChI Key:
YKQPOYGDQDEUFA-ZETCQYMHSA-N
SMILES:
NC(=O)CCCNC(=O)[C@@H]1CCCN1
Properties
Complexity:
218
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
199.132g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
199.254g/mol
Monoisotopic Mass:
199.132g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
84.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.1
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